4IMA
 
 | | The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP | | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ... | | 著者 | Zhang, B, Holyoak, T, Fenton, A.W, Tang, Q.L, Prasannan, C.B, Deng, J.P. | | 登録日 | 2013-01-02 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
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6JKE
 | | Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2. | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ... | | 著者 | Padmanabhan, B, Mathur, S, Deshmukh, P. | | 登録日 | 2019-02-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
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6K1R
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2MBT
 | | NMR study of PaDsbA | | 分子名称: | Thiol:disulfide interchange protein DsbA | | 著者 | Rimmer, K, Mohanty, B, Scanlon, M.J. | | 登録日 | 2013-08-03 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | 分子名称: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | 著者 | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | 登録日 | 2005-06-28 | | 公開日 | 2006-07-04 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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3ZPQ
 | | Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19) | | 分子名称: | 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | | 登録日 | 2013-03-01 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
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3ZPR
 | | Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl) quinoline bound | | 分子名称: | 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | | 登録日 | 2013-03-01 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
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6ODC
 | | Crystal structure of HDAC8 in complex with compound 30 | | 分子名称: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | 登録日 | 2019-03-26 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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6ODA
 | | Crystal structure of HDAC8 in complex with compound 2 | | 分子名称: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | 登録日 | 2019-03-26 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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6ODB
 | | Crystal structure of HDAC8 in complex with compound 3 | | 分子名称: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | 登録日 | 2019-03-26 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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2QRZ
 | | Cdc42 bound to GMP-PCP: Induced Fit by Effector is Required | | 分子名称: | Cell division control protein 42 homolog precursor, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | 著者 | Phillips, M.J, Calero, G, Chan, B, Cerione, R.A. | | 登録日 | 2007-07-30 | | 公開日 | 2008-03-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Effector Proteins Exert an Important Influence on the Signaling-active State of the Small GTPase Cdc42.
J.Biol.Chem., 283, 2008
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8J5U
 | | Crystal structure of Mycobacterium tuberculosis OppA complexed with an endogenous oligopeptide | | 分子名称: | Endogenous oligopeptide, Uncharacterized protein Rv1280c | | 著者 | Yang, X, Hu, T, Zhang, B, Rao, Z. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5S
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state | | 分子名称: | Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | 著者 | Yang, X, Hu, T, Zhang, B, Rao, Z. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5R
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the resting state | | 分子名称: | IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, Putative peptide transport permease protein Rv1283c, ... | | 著者 | Yang, X, Hu, T, Zhang, B, Rao, Z. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5T
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the catalytic intermediate state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | 著者 | Yang, X, Hu, T, Zhang, B, Rao, Z. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5Q
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state | | 分子名称: | Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ... | | 著者 | Yang, X, Hu, T, Zhang, B, Rao, Z. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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6CB7
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6CB6
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5WTH
 | | Cryo-EM structure for Hepatitis A virus complexed with FAB | | 分子名称: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | | 著者 | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | 登録日 | 2016-12-12 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-01-26 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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5WTE
 | | Cryo-EM structure for Hepatitis A virus full particle | | 分子名称: | VP1, VP2, VP3 | | 著者 | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | 登録日 | 2016-12-11 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTG
 | | Crystal structure of the Fab fragment of anti-HAV antibody R10 | | 分子名称: | FAB Heavy chain, FAB Light chain | | 著者 | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | 登録日 | 2016-12-11 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.907 Å) | | 主引用文献 | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8YGX
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8YHV
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4GQB
 | | Crystal Structure of the human PRMT5:MEP50 Complex | | 分子名称: | (2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid, Histone H4 peptide, Methylosome protein 50, ... | | 著者 | Antonysamy, S, Bonday, Z, Campbell, R, Doyle, B, Druzina, Z, Gheyi, T, Han, B, Jungheim, L.N, Qian, Y, Rauch, C, Russell, M, Sauder, J.M, Wasserman, S.R, Weichert, K, Willard, F.S, Zhang, A, Emtage, S. | | 登録日 | 2012-08-22 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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